Lurasidone

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Systematic / IUPAC Name: 4-[(2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl)methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

ID: Reference4529

Other Names: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[(2-{[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl)methyl]hexahydro-

Formula: C28H36N4O2S

Class: Therapeutics/Prescription Drugs

Spectral Data

Lurasidone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 189
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 4/12/2016 2:04:41 PM
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Identificators

InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2
InChI Key PQXKDMSYBGKCJA-UHFFFAOYSA-N
Canonical SMILES C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O
CAS
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Other Names 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[(2-{[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl)methyl]hexahydro-

In Other Databases

Wikipedia Lurasidone
ChemSpider 21239903; 28569729
PubChem 44210114